Chemical Properties of 9,15-cyclo-GA9 (GA103), Me

InChI

InChI=1S/C20H24O4/c1-10-11-5-8-19-13(10)18(19,9-11)12(15(21)23-3)14-17(2)6-4-7-20(14,19)24-16(17)22/h11-14H,1,4-9H2,2-3H3/t11?,12-,13?,14-,17-,18-,19+,20+/m0/s1

InChI Key

GABCKUAZOCTIQC-XQZKAHCQSA-N

Formula

C20H24O4

SMILES

C=C1C2CCC34C1C3(C2)C(C(=O)OC)C1C2(C)CCCC14OC2=O

Molecular Weight¹

328.40

Other Names

• GA103, Methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	67.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.15	kJ/mol	Joback Calculated Property
ΔfusH°	24.53	kJ/mol	Joback Calculated Property
ΔvapH°	72.27	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	2.864		Crippen Calculated Property
McVol	238.080	ml/mol	McGowan Calculated Property
Pc	2108.07	kPa	Joback Calculated Property
Inp	[2231.00; 2251.00]
Inp	2232.00		NIST
Inp	2251.00		NIST
Inp	2251.00		NIST
Inp	2232.00		NIST
Inp	2231.00		NIST
Tboil	855.01	K	Joback Calculated Property
Tc	1106.57	K	Joback Calculated Property
Tfus	694.07	K	Joback Calculated Property
Vc	0.931	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[852.65; 1081.38]	J/mol×K	[855.01; 1106.57]
Cp,gas	852.65	J/mol×K	855.01	Joback Calculated Property
Cp,gas	881.12	J/mol×K	896.94	Joback Calculated Property
Cp,gas	912.41	J/mol×K	938.86	Joback Calculated Property
Cp,gas	947.29	J/mol×K	980.79	Joback Calculated Property
Cp,gas	986.56	J/mol×K	1022.72	Joback Calculated Property
Cp,gas	1030.99	J/mol×K	1064.65	Joback Calculated Property
Cp,gas	1081.38	J/mol×K	1106.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,15-cyclo-GA9 (GA103), Me.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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